Information card for entry 2020770

Structure parameters

• Chemical name: Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')iron(II) diacetate
• Formula: C10 H30 Fe N6 O4
• Calculated formula: C10 H30 Fe N6 O4
• SMILES: [Fe]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.O=C([O-])C.O=C([O-])C
• Title of publication: The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)
• Authors of publication: Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 442 - 446
• a: 8.3426 ± 0.0009 Å
• b: 9.1332 ± 0.001 Å
• c: 12.8165 ± 0.0014 Å
• α: 70.423 ± 0.005°
• β: 86.074 ± 0.004°
• γ: 75.628 ± 0.005°
• Cell volume: 891.19 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes